N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide

C14H27N3 — CID 55159383

IUPACN-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(C)C1CCCN(C)C1
InChIInChI=1S/C14H27N3/c1-16-10-6-9-13(11-16)17(2)14(15)12-7-4-3-5-8-12/h12-13,15H,3-11H2,1-2H3/b15-14+
InChIKeyNLAWUNUEFJVHKL-CCEZHUSRSA-N
MW237.39 g/mol
LogP2.57
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide

N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide (PubChem CID 55159383) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide
PubChem CID55159383
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(C)C1CCCN(C)C1
InChIInChI=1S/C14H27N3/c1-16-10-6-9-13(11-16)17(2)14(15)12-7-4-3-5-8-12/h12-13,15H,3-11H2,1-2H3/b15-14+
InChIKeyNLAWUNUEFJVHKL-CCEZHUSRSA-N
XLogP2.57
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide (CID 55159383) is N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide is [H]/N=C(\C1CCCCC1)N(C)C1CCCN(C)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide?
The InChIKey is NLAWUNUEFJVHKL-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H27N3/c1-16-10-6-9-13(11-16)17(2)14(15)12-7-4-3-5-8-12/h12-13,15H,3-11H2,1-2H3/b15-14+.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide?
N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide has a molecular weight of 237.39 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)cyclohexanecarboximidamide is sourced from PubChem (CID 55159383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).